N-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide

C20H24N4O2 — CID 170735733

IUPACN-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(-c2cnn(C(C)C)c2)cc1O[C@H](C)c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-13(2)24-12-16(11-22-24)17-10-18(19(23-17)20(25)21-4)26-14(3)15-8-6-5-7-9-15/h5-14,23H,1-4H3,(H,21,25)/t14-/m1/s1
InChIKeyUFHNPTGTVMNUCH-CQSZACIVSA-N
MW352.44 g/mol
LogP3.96
Rot. Bonds6

About N-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide

N-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 170735733) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID170735733
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1[nH]c(-c2cnn(C(C)C)c2)cc1O[C@H](C)c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-13(2)24-12-16(11-22-24)17-10-18(19(23-17)20(25)21-4)26-14(3)15-8-6-5-7-9-15/h5-14,23H,1-4H3,(H,21,25)/t14-/m1/s1
InChIKeyUFHNPTGTVMNUCH-CQSZACIVSA-N
XLogP3.96
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide
CID 174177876
5-N-(1-bicyclo[1.1.1]pentanyl)-2-N-methyl-3-[(1S)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 170735431
ethyl 5-(methylcarbamoyl)-4-[(1S)-1-phenylethoxy]-1H-pyrrole-2-carboxylate
CID 170735608
2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide
CID 170735550
5-N-(3,3-difluorocyclobutyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 170735617
5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 174178510
5-(methylcarbamoyl)-4-(1-pyridazin-4-ylethoxy)-1H-pyrrole-2-carboxylic acid
CID 170735674
5-N-[(1S,3S)-3-hydroxycyclopentyl]-2-N-methyl-3-[(1S)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 170735592
5-N-[(1S)-3,3-difluorocyclopentyl]-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide;molecular hydrogen
CID 170735779
3-[1-(4-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735497
5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735483
ethyl 4-[1-(4-chlorophenyl)ethoxy]-5-(methylcarbamoyl)-1H-pyrrole-2-carboxylate
CID 170735399

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide (CID 170735733) is N-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide is CNC(=O)c1[nH]c(-c2cnn(C(C)C)c2)cc1O[C@H](C)c1ccccc1.
What is the InChIKey of N-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is UFHNPTGTVMNUCH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13(2)24-12-16(11-22-24)17-10-18(19(23-17)20(25)21-4)26-14(3)15-8-6-5-7-9-15/h5-14,23H,1-4H3,(H,21,25)/t14-/m1/s1.
What are the key properties of N-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
N-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(1R)-1-phenylethoxy]-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 170735733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).